Geometry & MOs

Info

ID:	413197
PubChem CID:	135086143
Reduced:	OC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	355.105587
ΔH_f, kcal/mol:	-7.63
Dipole, Da:	1.72
IP(EA), eV:	-9.47(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(benzoyloxycarbamoyloxy)prop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CC1=CC=CC=C1C#C

DOS

IR

Vibrations